Cas no 68213-97-8 (benzyltrioctadecylammonium chloride)
68213-97-8 structure
Product Name:benzyltrioctadecylammonium chloride
CAS No:68213-97-8
MF:C61H118ClN
MW:901.049338817596
CID:969534
PubChem ID:176320
Update Time:2025-04-19
benzyltrioctadecylammonium chloride Chemical and Physical Properties
Names and Identifiers
-
- benzyltrioctadecylammonium chloride
- benzyl(trioctadecyl)azanium,chloride
- Benzenemethanaminium, N,N,N-trioctadecyl-, chloride
- Benzenemethanaminium, N,N,N-trioctadecyl-, chloride (1:1)
- N-benzyl-N,N-dioctadecyloctadecan-1-aminium chloride
- SCHEMBL2059990
- DTXSID00887277
- EINECS 269-278-0
- 68213-97-8
- NS00064475
- GEIOGQZUWHHRLM-UHFFFAOYSA-M
-
- Inchi： 1S/C61H118N.ClH/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52-57-62(60-61-55-50-49-51-56-61,58-53-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)59-54-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;/h49-51,55-56H,4-48,52-54,57-60H2,1-3H3;1H/q+1;/p-1
- InChI Key： GEIOGQZUWHHRLM-UHFFFAOYSA-M
- SMILES： [Cl-].[N+](CC1C=CC=CC=1)(CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 780.972
- Monoisotopic Mass: 899.8952805g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 63
- Rotatable Bond Count: 53
- Complexity: 709
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
benzyltrioctadecylammonium chloride Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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